N-ethyl-1-[(2-hydroxyphenyl)methyl]-N-(2-methylprop-2-enyl)piperidine-4-carboxamide

C19H28N2O2 — CID 762868

IUPACN-ethyl-1-[(2-hydroxyphenyl)methyl]-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
SMILESC=C(C)CN(CC)C(=O)C1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C19H28N2O2/c1-4-21(13-15(2)3)19(23)16-9-11-20(12-10-16)14-17-7-5-6-8-18(17)22/h5-8,16,22H,2,4,9-14H2,1,3H3
InChIKeyOWCHEZUZTVVZOI-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.03
Rot. Bonds6

About N-ethyl-1-[(2-hydroxyphenyl)methyl]-N-(2-methylprop-2-enyl)piperidine-4-carboxamide

N-ethyl-1-[(2-hydroxyphenyl)methyl]-N-(2-methylprop-2-enyl)piperidine-4-carboxamide (PubChem CID 762868) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-ethyl-1-[(2-hydroxyphenyl)methyl]-N-(2-methylprop-2-enyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[(2-hydroxyphenyl)methyl]-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
PubChem CID762868
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-ethyl-1-[(2-hydroxyphenyl)methyl]-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
SMILESC=C(C)CN(CC)C(=O)C1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C19H28N2O2/c1-4-21(13-15(2)3)19(23)16-9-11-20(12-10-16)14-17-7-5-6-8-18(17)22/h5-8,16,22H,2,4,9-14H2,1,3H3
InChIKeyOWCHEZUZTVVZOI-UHFFFAOYSA-N
XLogP3.03
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
CID 5024402
1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
CID 3599917
N-ethyl-N-(2-methylprop-2-enyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide;oxalic acid
CID 44828326
1-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide;oxalic acid
CID 2903567
1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 1076473
N-ethyl-N-(2-methylprop-2-enyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 2903568
N,N-diethyl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 795749
1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide;oxalic acid
CID 123132441
N-butan-2-yl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 46949906
N-[(2R)-butan-2-yl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 795617
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26399029

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(2-hydroxyphenyl)methyl]-N-(2-methylprop-2-enyl)piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-[(2-hydroxyphenyl)methyl]-N-(2-methylprop-2-enyl)piperidine-4-carboxamide (CID 762868) is N-ethyl-1-[(2-hydroxyphenyl)methyl]-N-(2-methylprop-2-enyl)piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-[(2-hydroxyphenyl)methyl]-N-(2-methylprop-2-enyl)piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-[(2-hydroxyphenyl)methyl]-N-(2-methylprop-2-enyl)piperidine-4-carboxamide is C=C(C)CN(CC)C(=O)C1CCN(Cc2ccccc2O)CC1.
What is the InChIKey of N-ethyl-1-[(2-hydroxyphenyl)methyl]-N-(2-methylprop-2-enyl)piperidine-4-carboxamide?
The InChIKey is OWCHEZUZTVVZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-21(13-15(2)3)19(23)16-9-11-20(12-10-16)14-17-7-5-6-8-18(17)22/h5-8,16,22H,2,4,9-14H2,1,3H3.
What are the key properties of N-ethyl-1-[(2-hydroxyphenyl)methyl]-N-(2-methylprop-2-enyl)piperidine-4-carboxamide?
N-ethyl-1-[(2-hydroxyphenyl)methyl]-N-(2-methylprop-2-enyl)piperidine-4-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(2-hydroxyphenyl)methyl]-N-(2-methylprop-2-enyl)piperidine-4-carboxamide is sourced from PubChem (CID 762868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).